[DFTB-Plus-User] Slater Koster (sk) files for Cu-C and Cu-N

[Elio Physics]

Dear Giovanni,

Thanks for your help. I have checked the paper and the section where the authors mention using some sort of "Clementi's code". However I could not find it.  I am trying to reach out for the author to see if he does not mind sharing the files.


________________________________
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Giovanni La Penna <giovanni.lapenna at cnr.it>
Sent: Friday, May 6, 2022 11:02 AM
To: User list for DFTB+ related questions <dftb-plus-user at mailman.zfn.uni-bremen.de>
Subject: Re: [DFTB-Plus-User] Slater Koster (sk) files for Cu-C and Cu-N

On Fri, May 06, 2022 at 11:51:44AM +0000, Elio Physics wrote:
> I am in need of Cu-C and Cu-N slater koster files. Does anyone know if there are  ready-to-use files  for these elements somewhere?
> If not, what is the simplest code to use to generate them?

There is this article:

https://dx.doi.org/10.1021/jp210409c

with the indications to get SK files (p.4, column 2).

 Giovanni La Penna

--
National research council of Italy
Institute of chemistry of organometallic compounds
via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy
http://sites.google.com/view/wwwgiovannilapennait
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